⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21698361 | 0.90 | NAMPT (0.30) | — | |
| SCHEMBL21698406 | 0.88 | — | — | |
| SCHEMBL21698403 | 0.88 | ALDH1A1 (0.33) | — | |
| SCHEMBL21698482 | 0.88 | — | — | |
| SCHEMBL21698465 | 0.87 | — | — | |
| SCHEMBL21698364 | 0.86 | ALDH1A1 (0.35) | — | |
| SCHEMBL21698464 | 0.85 | HTT (0.31) | — | |
| SCHEMBL21698366 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL21698368 | 0.84 | SMYD3 (0.30) | — | |
| SCHEMBL21698448 | 0.83 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2970340-B1 | BETA-LACTAMASE INHIBITORS | VENATORX PHARMACEUTICALS INC (US) | 2020-02-12 | — | — | EP | disclosed |